1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)-

Modify Date: 2024-02-23 08:16:55

1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)- Structure
1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)- structure
 Common Name 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)-
CAS Number 86617-08-5 Molecular Weight 324.77900
Density 1.353g/cm3 Boiling Point 455ºC at 760 mmHg
Molecular Formula C15H13ClO4S Melting Point N/A
MSDS N/A Flash Point 229ºC

 Names

Name methyl (2S,4R)-6-chloro-4-methyl-4-thiophen-2-yl-1,3-benzodioxine-2-carboxylate

 Chemical & Physical Properties

Density 1.353g/cm3
Boiling Point 455ºC at 760 mmHg
Molecular Formula C15H13ClO4S
Molecular Weight 324.77900
Flash Point 229ºC
Exact Mass 324.02200
PSA 73.00000
LogP 3.57310
Index of Refraction 1.583

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF3509700
CHEMICAL NAME :
1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, methyl ester, (E)-
CAS REGISTRY NUMBER :
86617-08-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H13-Cl-O4-S
MOLECULAR WEIGHT :
324.79

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 18,67,1983

 Synthetic Route

5'-Chloro-2'-hydroxyacetophenone structure

5'-Chloro-2'-hy...

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1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)- Structure

1,3-Benzodioxan...

CAS#:86617-08-5
Literature: Humbert; Dagnaux; Cohen; et al. European Journal of Medicinal Chemistry, 1983 , vol. 18, # 1 p. 67 - 78
4-chloro-2-(1-hydroxy-1-(thiophen-2-yl)ethyl)phenol structure

4-chloro-2-(1-h...

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1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)- Structure

1,3-Benzodioxan...

CAS#:86617-08-5
Literature: Humbert; Dagnaux; Cohen; et al. European Journal of Medicinal Chemistry, 1983 , vol. 18, # 1 p. 67 - 78
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Chemsrc provides CAS#:86617-08-5 MSDS, density, melting point, boiling point, structure, etc. Its name is 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)->> amp version: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)-

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